V021-4414 Screening compound: 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

V021-4414 Screening compound: 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
V021-4414 Screening compound: 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-4414
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V021-4414

Molecular Formula

C21H23ClF3N3O (C21 H23 ClF3 N3 O)

Compound Name

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

IUPAC name

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

SMILES

CC(C(NCc1cc(C(F)(F)F)ccc1)=O)N(CC1)CCN1c(cc1)ccc1Cl

InChI

InChI=1S/C21H23ClF3N3O/c1-15(20(29)26-14-16-3-2-4-17(13-16)21(23,24)25)27-9-11-28(12-10-27)19-7-5-18(22)6-8-19/h2-8,13,15H,9-12,14H2,1H3,(H,26,29)/t15-/m0/s1

InChI Key

LKNCSRMVEZBUMX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19914385

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

425.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.023

Distribution Coefficient, logD

4.021

Water Solubility, LogSw

-4.47

Polar Surface Area

31.588

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

V021-4414 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with V021-4414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-4414?
Check Price and Availability of V021-4414, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V021-4414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-4414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-4414
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V021-4414 available by request